Embedded-atom calculations of Auger and x-ray photoemission shifts for metallic elements

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  • University of Jyväskylä


Change in self-consistent-field energy density-functional calculations are reported for Auger and core-level binding-energy shifts in sp-bonded metals. The basic model, atom in jellium vacancy, gives good agreement with experiment, especially in the Auger case. The chemical and relaxation contributions to the shifts are discussed, and the extra-atomic response is analyzed in detail, both in position and energy space. The adequacy of the "excited-atom" approach to the energy shifts is discussed.


Original languageEnglish
Pages (from-to)67-77
Number of pages11
JournalPhysical Review B
Issue number1
Publication statusPublished - 1 Jan 1982
MoE publication typeA1 Journal article-refereed

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